SCHEMBL30953533

SCHEMBL30953533

CC1CCC([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(CN[C@H](C)CN)ccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 7/20 0.45
▸ NR3C2 P08235 4/20 0.36
▸ MMP1 P03956 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ ACACA Q13085 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30953284 0.87 AAK1 (0.45) AAK1NR3C2MMP1LMNARAB9A
SCHEMBL30953522 0.86 AAK1 (0.47) AAK1NR3C2MMP1LMNARAB9A
SCHEMBL27393615 0.86 AAK1 (0.48) AAK1NR3C2MMP1LMNARAB9A
SCHEMBL30953221 0.86 AAK1 (0.48) AAK1NR3C2MMP1LMNARAB9A
SCHEMBL30953339 0.85 AAK1 (0.50) AAK1NR3C2MMP1LMNARAB9A
SCHEMBL30953454 0.83 AAK1 (0.43) AAK1NR3C2MMP1LMNARAB9A
SCHEMBL27393526 0.83 AAK1 (0.43) AAK1NR3C2MMP1LMNARAB9A
SCHEMBL30953276 0.81 AAK1 (0.44) AAK1NR3C2MMP1LMNARAB9A
SCHEMBL27393604 0.81 AAK1 (0.44) AAK1NR3C2MMP1LMNARAB9A
SCHEMBL30953440 0.81 AAK1 (0.51) AAK1MMP1LMNARAB9AACACB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630115-A1 THERAPEUTIC COMPOUNDS Sanofi (FR) 2025-10-15 — — EP disclosed
WO-2024121427-A1 THERAPEUTIC COMPOUNDS SANOFI (FR) 2024-06-13 — — WO disclosed
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